| SpectraBase Spectrum ID |
CCM529dpMcd |
| Name |
(6S)-N-1-(Tert-butoxycarbonyl)-6-isopropyl-3-neopentyl-5-phenyl-1,2,3,6-tetrahydro-2-pyrazinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.256942960 u |
| Formula |
C23H34N2O3 |
| InChI |
InChI=1S/C23H34N2O3/c1-15(2)19-18(16-12-10-9-11-13-16)24-17(14-22(3,4)5)20(26)25(19)21(27)28-23(6,7)8/h9-13,15,17,19H,14H2,1-8H3/t17?,19-/m0/s1 |
| InChIKey |
VVWJGUWLVSCVJY-NNBQYGFHSA-N |
| Molecular Weight |
386.536 g/mol |
| SMILES |
C(N1C(C(CC(C)(C)C)N=C([C@@]1(C(C)C)[H])C1=CC=CC=C1)=O)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976689 |
